Vitas-M small molecule compound
7-methyl-2-oxo-4-[(4-phenylpiperazin-1-ium-1-yl)methyl]-2H-chromen-5-olate
Catalog ID
STK597216
SMILES Cc1cc([O-])c2c(c1)oc(=O)cc2C[NH+]1CCN(CC1)c1ccccc1
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C21H22N2O3 MW 350.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N2O3/c1-15-11-18(24)21-16(13-20(25)26-19(21)12-15)14-22-7-9-23(10-8-22)17-5-3-2-4-6-17/h2-6,11-13,24H,7-10,14H2,1H3InChIKey
PVZGYABQAOTQHM-UHFFFAOYSA-NSynonyms
899383-64-37methyl2oxo4((4phenylpiperazin1ium1yl)methyl)2Hchromen5olate
7methyl2oxo4((4phenylpiperazin1ium1yl)methyl)chromen5olate
CC1=CC(=C2C(=CC(=O)OC2=C1)C(NH+)3CCN(CC3)C4=CC=CC=C4)(O)
Cc1cc((O))c2c(c1)oc(=O)cc2C(NH+)1CCN(CC1)c1ccccc1
InChI=1SC21H22N2O3c1151118(24)2116(1320(25)2619(21)1215)14227923(10822)175324617h26111324H71014H21H3
MFCD06605716
ZINC000095483479
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